UCSF

ZINC36642831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 7.69 -43.75 1 8 1 82 436.583 9
Hi High (pH 8-9.5) 3.48 5.6 -11.66 0 8 0 81 435.575 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )